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Terminal alkyne

View entire compound with spectra: 1 MS (GC)

Terminal alkyne
SpectraBase Compound ID 3cD3au2f4xz
InChI InChI=1S/C15H24O6/c1-6-7-9(16)12-13(21-15(4,5)20-12)11(17)10-8-18-14(2,3)19-10/h1,9-13,16-17H,7-8H2,2-5H3/t9-,10-,11-,12-,13+/m1/s1
InChIKey YUIAWFLXCKPJOP-VEGXAWMVSA-N
Mol Weight 300.35 g/mol
Molecular Formula C15H24O6
Exact Mass 300.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSSnSA8Jum6
Name Terminal alkyne
Alternate Name(s) (R)-1-{(4R,5S)-5-[(R)-((R)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-hydroxy-methyl]-2,2-dimethyl-[1,3]dioxolan-4-yl}-but-3-yn-1-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O6
InChI InChI=1S/C15H24O6/c1-6-7-9(16)12-13(21-15(4,5)20-12)11(17)10-8-18-14(2,3)19-10/h1,9-13,16-17H,7-8H2,2-5H3/t9-,10-,11-,12-,13+/m1/s1
InChIKey YUIAWFLXCKPJOP-VEGXAWMVSA-N
Molecular Weight 300.351 g/mol
SMILES O[C@@]([C@@]1([C@]([C@@]([C@@]2(OC(C)(C)OC2)[H])(O)[H])(OC(O1)(C)C)[H])[H])(CC#C)[H]
SPLASH splash10-0udr-0089000000-d20175af602e4c392577
Source of Spectrum J-58-2761-9
Wiley ID 1302645